CAS 619-89-6|CAS 882-06-4|(2E)-3-(4-nitrophenyl)prop-2-enoic acid|trans-P-nitrocinnamic acid|3-(4-Nitrophenyl)acrylic acid|3-(4-Nitrophenyl)acrylic acid|3-(4-Nitrophenyl)prop-2-enoic acid|3-(4-nitro...

General Information

Structure

Molecular Formula

C₉H₇NO₄

Molecular Mass

193.15618

Exact Mass

193.03750771

Charge

InChI

InChI=1S/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)/b6-3+

InChIKey

XMMRNCHTDONGRJ-ZZXKWVIFSA-N

Canonic Smiles

OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]

Isomeric Smiles

[N+](=O)(c1ccc(/C=C/C(=O)O)cc1)[O-]

Calculated Properties

JChem

Acid pKa

3.5116603

H Acceptors

H Donor

LogD (pH = 5.5)

0.09560876

LogD (pH = 7.4)

-1.2957999

Log P

2.0760705

Molar Refractivity

49.3804

Polarizability

18.128496

Polar Surface Area

80.44

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(2E)-3-(4-nitrophenyl)prop-2-enoic acid 3-(4-nitrophenyl)prop-2-enoic acid

IUPAC Traditional name

trans-P-nitrocinnamic acid 3-(4-nitrophenyl)prop-2-enoic acid

Synonyms

3-(4-Nitrophenyl)acrylic acid3-(4-Nitrophenyl)acrylic acid3-(4-Nitrophenyl)prop-2-enoic acid4-Nitrocinnamic acid 98%4-Nitrocinnamic Acid4-Nitrocinnamic acid, predominantly trans4-硝基肉桂酸，主要为反式NSC 20673-(4-硝基苯基)-2-丙烯酸NSC 6381423-(4-Nitrophenyl)-2-propenoic acid3-(4-nitrophenyl)prop-2-enoic acid(E)-3-(4-nitrophenyl)acrylic acidtrans-4-Nitrocinnamic acid反-4-硝基肉桂酸p-NITROCINNAMIC ACID反式-4-硝基肉桂酸反式-3-(4-硝基苯基)丙烯酸trans-3-(4-Nitrophenyl)acrylic acid

Names and Identifiers

Registration numbers

MDL Number

MFCD00007381

PubChem SID

2489751416205003724886648

CAS Number

619-89-6882-06-4

EC Number

210-617-9212-924-3

PubChem CID

737157