Phenylcarbamic acid propyl ester(CAS No. 5532-90-1) CAS NO.5532-90-1

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Product Details

Keywords

Carbanilic acid, propyl ester
5532-90-1
98%

Quick Details

ProName: Phenylcarbamic acid propyl ester(CAS N...
CasNo: 5532-90-1
Molecular Formula: C10H13NO2
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram

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Details

【Name】
Phenylcarbamic acid propyl ester
【Iupac name】
propyl N-phenylcarbamate
【CAS Registry number】
5532-90-1
【Synonyms】
N-Phenylcarbamic acid propyl ester
Phenylcarbamic acid propyl ester
Propyl phenylurethane
【Molecular Formula】
C10H13NO2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C10H13NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
【Canonical SMILES】
CCCOC(=O)NC1=CC=CC=C1
【MOL File】
5532-90-1.mol
Chemical and Physical Properties
【Density】
1.107g/cm3
【Boiling Point】
227.5°C at 760 mmHg
【Refractive Index】
1.549
【Flash Point】
91.4°C
【Computed Properties】
Molecular Weight:179.21572 [g/mol]
Molecular Formula:C10H13NO2
XLogP3:2.8
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:179.094629
MonoIsotopic Mass:179.094629
Topological Polar Surface Area:38.3
Heavy Atom Count:13
Formal Charge:0
Complexity:153
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:36

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